SCHEMBL29173547

SCHEMBL29173547

CNc1nc(Nc2cc(C)c(N3CCOCC3)c(C)c2)c(C(=O)OC)nc1-c1cncc2c1ncn2C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ LRRK2 Q5S007 14/20 0.33
▸ BTK Q06187 2/20 0.33
▸ PKMYT1 Q99640 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ MAP3K9 P80192 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ BRAF P15056 1/20 0.31
▸ SYK P43405 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30206194 1.00 MEN1 (0.34) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL29173596 0.92 SYK (0.39) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL30206239 0.92 SYK (0.39) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL24943836 0.92 EML4 (0.36) BTKSYK
SCHEMBL30205999 0.91 LRRK2 (0.33) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL31577321 0.91 LRRK2 (0.33) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL30206019 0.90 SYK (0.41) MAPTBTKPKMYT1SYK
SCHEMBL29173329 0.90 SYK (0.41) MAPTBTKPKMYT1SYK
SCHEMBL29173512 0.88 PKMYT1 (0.40) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL30206202 0.88 PKMYT1 (0.40) MEN1NPC1MAPTRAB9AKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117693503-A Substituted pyrazine-2-carboxamides as HPK1 inhibitors for the treatment of cancer 阿斯利康(瑞典)有限公司 2024-03-12 — — CN disclosed
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